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1018450-07-1 | (E)-3-(3-iodo-5-methylphenyl)prop-2-enenitrile
CAS No: 1018450-07-1 Catalog No: AG00H9N7 MDL No:MFCD21496416
Product Description
Catalog Number:
AG00H9N7
Chemical Name:
(E)-3-(3-iodo-5-methylphenyl)prop-2-enenitrile
CAS Number:
1018450-07-1
Molecular Formula:
C10H8IN
Molecular Weight:
269.0817
MDL Number:
MFCD21496416
IUPAC Name:
(E)-3-(3-iodo-5-methylphenyl)prop-2-enenitrile
InChI:
InChI=1S/C10H8IN/c1-8-5-9(3-2-4-12)7-10(11)6-8/h2-3,5-7H,1H3/b3-2+
InChI Key:
AQCASFHAHXVWFU-NSCUHMNNSA-N
SMILES:
N#C/C=C/c1cc(C)cc(c1)I
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
268.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.085g/mol
Monoisotopic Mass:
268.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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